Geometry & MOs

Info

ID:	423777
PubChem CID:	135120189
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	2.27
IP(EA), eV:	-8.72(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3CCN(CC3)CC4=CC=CO4

DOS

IR

Vibrations